SCHEMBL10866990

SCHEMBL10866990

CN(C)CCN1CCCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.50
▸ CHRM1 P11229 3/20 0.50
▸ CHRM3 P20309 3/20 0.50
▸ KCNH2 Q12809 3/20 0.50
▸ CHRM4 P08173 2/20 0.50
▸ CHRM5 P08912 2/20 0.50
▸ OPRM1 P35372 2/20 0.50
▸ ADRB2 P07550 1/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ KCNE1 P15382 1/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ HRH2 P25021 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ HTR2B P41595 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fumaric Acid SCHEMBL10867111 0.95 ADRB2 (0.46) CHRM2CHRM1CHRM3KCNH2CHRM4
SCHEMBL10868089 0.93 OPRM1 (0.57) CHRM2CHRM1CHRM3KCNH2CHRM4
SCHEMBL10866675 0.86 KCNH2 (0.55) CHRM2CHRM1CHRM3KCNH2CHRM4
SCHEMBL10867840 0.86 OPRM1 (0.51) CHRM2CHRM1CHRM3KCNH2CHRM4
SCHEMBL5807618 0.85 CHRM3 (0.60) CHRM2CHRM1CHRM3KCNH2CHRM4
SCHEMBL5807614 0.85 CHRM3 (0.60) CHRM2CHRM1CHRM3KCNH2CHRM4
SCHEMBL11479218 0.84 CHRM2 (0.49) CHRM2CHRM1CHRM3KCNH2CHRM4
SCHEMBL4356190 0.84 CHRM3 (0.53) CHRM2CHRM1CHRM3KCNH2CHRM4
SCHEMBL4345490 0.84 CHRM3 (0.53) CHRM2CHRM1CHRM3KCNH2CHRM4
SCHEMBL4356193 0.84 CHRM3 (0.53) CHRM2CHRM1CHRM3KCNH2CHRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178946-A2 1-(Aminoalkyl)-alpha, alpha-diaryl pyrrolidine-piperidine- and homopiperidine- acetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 — — EP claimed
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